Compound Identification
SMILES
CCOCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C(C(C)=O)C(C(C)=O)(C(C)=O)[C@@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=TYDSQGKYGNKEKL-MRJOFXIMSA-N
Formula
C34H54O7
Mass
574.799
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Vitamin D and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids Monohydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Beta-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 3-alpha-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - 8,9-secoeremophilane skeleton - Beta-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors
Not available